Related papers: Computational Study of Trimer Self-Assembly and Fl…
Multiblock copolymer chains in implicit nonselective solvents are studied by Monte Carlo method which employs a parallel tempering algorithm. Chains consisting of 120 $A$ and 120 $B$ monomers, arranged in three distinct microarchitectures:…
By using Monte Carlo numerical simulation, this work investigates the phase behavior of systems of hard infinitesimally-thin circular arcs, from an aperture angle $\theta \rightarrow 0$ to an aperture angle $\theta \rightarrow 2 \pi$, in…
Microgels are colloidal-scale particles individually made of crosslinked polymer networks that can swell and deswell in response to external stimuli, such as changes to temperature or pH. Despite a large amount of experimental activities on…
Biomolecular condensates are liquid- or gel-like droplets of proteins and nucleic acids formed at least in part through liquid-liquid phase separation. Condensates enable diverse functions of cells and the pathogens that infect them,…
A crystal lattice, when confined to the surface of a cylinder, must have a periodic structure that is commensurate with the cylinder circumference. This constraint can frustrate the system, leading to oblique crystal lattices or to…
We propose a new Monte Carlo scheme to study the late-time dynamics of a 2-dim hard sphere fluid, modeled by a tethered network of hard spheres. Fluidity is simulated by breaking and reattaching the flexible tethers. We study the diffusion…
Active colloids self-organise to a variety of collective states, ranging from highly motile 'molecules' to complex 3D structures. Using large-scale simulations, we show that hydrodynamic interactions, together with a gravity-like aligning…
Fluid mixtures, such as the cellular cytoplasm and synthetic DNA nanostars, can spontaneously compartmentalize into many coexisting phases through liquid-liquid phase separation. Despite the diversity of fluid structures that emerge from…
The self-assembly of polyhedral shells, each constructed from 60 trapezoidal particles, is simulated using molecular dynamics. The spatial organization of the component particles in this shell is similar to the capsomer proteins forming the…
The self-assembly of copolymeric vesicles and micelles in micromixers is studied by External Potential Dynamics (EPD) simulations -- a dynamic density functional approach that explicitly accounts for the polymer architecture both at the…
We present the first simulations of the self-assembly kinetics of the gyroid cubic mesophase using a Boltzmann transport method. No macroscopic parameters are included in the model and three-dimensional hydrodynamics is emergent from the…
We report numerical investigations of a three-dimensional model of diffusive growth of fine particles, the internal structure of which corresponds to different crystal lattices. A growing cluster (particle) is immersed in, and exchanges…
Solution self-assembly of amphiphilic block copolymers (BCs) is typically performed by a solvent-to-water exchange. However, BC assemblies are often trapped in metastable states depending on the mixing conditions such as the magnitude and…
We demonstrate a simple method by which time-dependent interactions can be exploited to improve self-assembly in colloidal systems. We apply this method to two systems: a model colloid with short-ranged attractive potentials that undergoes…
We use a one-dimensional random walk on $D$-dimensional hyper-spheres to determine the critical behavior of statistical systems in hyper-spherical geometries. First, we demonstrate the properties of such a walk by studying the phase diagram…
We study binary mixtures of small active and big passive athermal particles interacting via soft repulsive forces on a frictional substrate. Athermal self propelled particles are known to phase separate into a dense aggregate and a dilute…
Through high-fidelity numerical simulation, the effect of the arrangement of micropillars on the flow characteristics and momentum transport has been extensively investigated. The surface friction due to the complex flow characteristics and…
Segregation patterns of size-bidisperse particle mixtures in a fully-three-dimensional flow produced by alternately rotating a spherical tumbler about two perpendicular axes are studied over a range of particle sizes and volume ratios using…
By adding minute concentrations of a high molecular weight polymer, liquid jets or bridges collapsing under the action of surface tension develop a characteristic shape of uniform threads connecting spherical fluid drops. In this paper,…
Semiflexible polymers in concentrated lyotropic solution are studied within a bead-spring model by molecular dynamics simulations, focusing on the emergence of a smectic A phase and its properties. We systematically vary the density of the…